4-acenaphthylen-1-yl-N-methylaniline;ethane

C21H21N — CID 143591086

IUPAC4-acenaphthylen-1-yl-N-methylaniline;ethane
SMILESCC.CNc1ccc(C2=Cc3cccc4cccc2c34)cc1
InChIInChI=1S/C19H15N.C2H6/c1-20-16-10-8-13(9-11-16)18-12-15-6-2-4-14-5-3-7-17(18)19(14)15;1-2/h2-12,20H,1H3;1-2H3
InChIKeyKCIOPIJSZASWDB-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.81
Rot. Bonds2

About 4-acenaphthylen-1-yl-N-methylaniline;ethane

4-acenaphthylen-1-yl-N-methylaniline;ethane (PubChem CID 143591086) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-acenaphthylen-1-yl-N-methylaniline;ethane.

Molecular Properties

Compound Name4-acenaphthylen-1-yl-N-methylaniline;ethane
PubChem CID143591086
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name4-acenaphthylen-1-yl-N-methylaniline;ethane
SMILESCC.CNc1ccc(C2=Cc3cccc4cccc2c34)cc1
InChIInChI=1S/C19H15N.C2H6/c1-20-16-10-8-13(9-11-16)18-12-15-6-2-4-14-5-3-7-17(18)19(14)15;1-2/h2-12,20H,1H3;1-2H3
InChIKeyKCIOPIJSZASWDB-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-phenylacenaphthylene
CID 13119282
1-methylsulfanylacenaphthylene
CID 10910498
2-methylphenalen-1-one
CID 15695099
acenaphthylen-1-yl(trimethyl)silane
CID 12548324
acenaphthylen-1-yloxy(trimethyl)silane
CID 56954913
N,4-dimethylaniline;ethane
CID 90758225
2-aminophenalen-1-one
CID 13013288
5-chloro-8-methyltetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,5,8,10,12,14(18),15-nonaene
CID 167442671
acenaphthylene;ethane
CID 54237459
CID 101479601
CID 101479601
2-(2,6-dimethylanilino)phenalen-1-one
CID 101222281
4-(4-ethylphenyl)-N-methylaniline
CID 83639646

Frequently Asked Questions

What is the IUPAC name of 4-acenaphthylen-1-yl-N-methylaniline;ethane?
The IUPAC name of 4-acenaphthylen-1-yl-N-methylaniline;ethane (CID 143591086) is 4-acenaphthylen-1-yl-N-methylaniline;ethane.
What is the SMILES notation for 4-acenaphthylen-1-yl-N-methylaniline;ethane?
The canonical SMILES for 4-acenaphthylen-1-yl-N-methylaniline;ethane is CC.CNc1ccc(C2=Cc3cccc4cccc2c34)cc1.
What is the InChIKey of 4-acenaphthylen-1-yl-N-methylaniline;ethane?
The InChIKey is KCIOPIJSZASWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N.C2H6/c1-20-16-10-8-13(9-11-16)18-12-15-6-2-4-14-5-3-7-17(18)19(14)15;1-2/h2-12,20H,1H3;1-2H3.
What are the key properties of 4-acenaphthylen-1-yl-N-methylaniline;ethane?
4-acenaphthylen-1-yl-N-methylaniline;ethane has a molecular weight of 287.41 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acenaphthylen-1-yl-N-methylaniline;ethane is sourced from PubChem (CID 143591086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).